6-(azanylcarbamothioyl)-N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 6-(azanylcarbamothioyl)-N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 6-(aminocarbamothioyl)-N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-[hydrazinyl(sulfanylidene)methyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: 6-(aminocarbamothioyl)-N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 6-(aminothiocarbamoyl)-N-(4-chlorobenzyl)-8-fluoro-4-keto-1H-quinoline-3-carboxamide Formula: C18H14ClFN4O2S MolecularWeight: 404.845763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C=C(C=C3C2=O)C(=S)NN)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C=C(C=C3C2=O)C(=S)NN)F)Cl

InChI

InChI=1S/C18H14ClFN4O2S/c19-11-3-1-9(2-4-11)7-23-17(26)13-8-22-15-12(16(13)25)5-10(6-14(15)20)18(27)24-21/h1-6,8H,7,21H2,(H,22,25)(H,23,26)(H,24,27)